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1RS4

DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyCCD
DetectorMARRESEARCH
Wavelength(s)1.54
Spacegroup nameI 4 2 2
Unit cell lengths60.947, 60.947, 123.689
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.270 - 2.700
Rwork0.263
R-free0.29500
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.008
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareCNX (2000)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.2702.870
High resolution limit [Å]2.7002.700
Number of reflections2989
Completeness [%]86.969.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.60.2M Ammonium Acetate, 0.1M tri-sodium citrate pH 5.6, 30% MPD, VAPOR DIFFUSION, HANGING DROP

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